6-(2,6-dimethylphenoxy)-2-(4-fluoroanilino)pyridazin-3-one

C18H16FN3O2 — CID 56659889

IUPAC6-(2,6-dimethylphenoxy)-2-(4-fluoroanilino)pyridazin-3-one
SMILESCc1cccc(C)c1Oc1ccc(=O)n(Nc2ccc(F)cc2)n1
InChIInChI=1S/C18H16FN3O2/c1-12-4-3-5-13(2)18(12)24-16-10-11-17(23)22(21-16)20-15-8-6-14(19)7-9-15/h3-11,20H,1-2H3
InChIKeyFHBDQLHILWTDPG-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.67
Rot. Bonds4

About 6-(2,6-dimethylphenoxy)-2-(4-fluoroanilino)pyridazin-3-one

6-(2,6-dimethylphenoxy)-2-(4-fluoroanilino)pyridazin-3-one (PubChem CID 56659889) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 6-(2,6-dimethylphenoxy)-2-(4-fluoroanilino)pyridazin-3-one.

Molecular Properties

Compound Name6-(2,6-dimethylphenoxy)-2-(4-fluoroanilino)pyridazin-3-one
PubChem CID56659889
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name6-(2,6-dimethylphenoxy)-2-(4-fluoroanilino)pyridazin-3-one
SMILESCc1cccc(C)c1Oc1ccc(=O)n(Nc2ccc(F)cc2)n1
InChIInChI=1S/C18H16FN3O2/c1-12-4-3-5-13(2)18(12)24-16-10-11-17(23)22(21-16)20-15-8-6-14(19)7-9-15/h3-11,20H,1-2H3
InChIKeyFHBDQLHILWTDPG-UHFFFAOYSA-N
XLogP3.67
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylphenoxy)-2-(4-fluoroanilino)pyridazin-3-one?
The IUPAC name of 6-(2,6-dimethylphenoxy)-2-(4-fluoroanilino)pyridazin-3-one (CID 56659889) is 6-(2,6-dimethylphenoxy)-2-(4-fluoroanilino)pyridazin-3-one.
What is the SMILES notation for 6-(2,6-dimethylphenoxy)-2-(4-fluoroanilino)pyridazin-3-one?
The canonical SMILES for 6-(2,6-dimethylphenoxy)-2-(4-fluoroanilino)pyridazin-3-one is Cc1cccc(C)c1Oc1ccc(=O)n(Nc2ccc(F)cc2)n1.
What is the InChIKey of 6-(2,6-dimethylphenoxy)-2-(4-fluoroanilino)pyridazin-3-one?
The InChIKey is FHBDQLHILWTDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-12-4-3-5-13(2)18(12)24-16-10-11-17(23)22(21-16)20-15-8-6-14(19)7-9-15/h3-11,20H,1-2H3.
What are the key properties of 6-(2,6-dimethylphenoxy)-2-(4-fluoroanilino)pyridazin-3-one?
6-(2,6-dimethylphenoxy)-2-(4-fluoroanilino)pyridazin-3-one has a molecular weight of 325.34 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethylphenoxy)-2-(4-fluoroanilino)pyridazin-3-one is sourced from PubChem (CID 56659889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).